2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

C13H16N2OS2 — CID 105089373

IUPAC2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCCc1ccc(CC(=O)c2snnc2C(C)C)s1
InChIInChI=1S/C13H16N2OS2/c1-4-9-5-6-10(17-9)7-11(16)13-12(8(2)3)14-15-18-13/h5-6,8H,4,7H2,1-3H3
InChIKeyZWLSDGWHJAHPTA-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.71
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone

2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (PubChem CID 105089373) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
PubChem CID105089373
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
SMILESCCc1ccc(CC(=O)c2snnc2C(C)C)s1
InChIInChI=1S/C13H16N2OS2/c1-4-9-5-6-10(17-9)7-11(16)13-12(8(2)3)14-15-18-13/h5-6,8H,4,7H2,1-3H3
InChIKeyZWLSDGWHJAHPTA-UHFFFAOYSA-N
XLogP3.71
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone (CID 105089373) is 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is CCc1ccc(CC(=O)c2snnc2C(C)C)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
The InChIKey is ZWLSDGWHJAHPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-4-9-5-6-10(17-9)7-11(16)13-12(8(2)3)14-15-18-13/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone has a molecular weight of 280.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105089373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).